SCHEMBL7417080

SCHEMBL7417080

NNN(C(N)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28019223 0.84 NPSR1 (0.50) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL5624200 0.84 TDP1 (0.46) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL11804026 0.81 TDP1 (0.47) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL12980512 0.81 TDP1 (0.47) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL27935850 0.81 TDP1 (0.43) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL28304379 0.79 TDP1 (0.65) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL28872509 0.79 SMN1; SMN2 (0.65) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL11150064 0.78 ALDH1A1 (0.56) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL11760572 0.78 TDP1 (0.44) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1
SCHEMBL7472041 0.78 ALDH1A1 (0.51) TDP1L3MBTL1RAB9ASMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP disclosed
US-5508288-A Indole derivatives as 5HT1C antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1996-04-16 US disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO disclosed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed